Decomposition of CH4 on S-A type stepped Si(100) surface

Katircioglu S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B, cilt.16, sa.16, ss.2191-2200, 2002 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 16 Sayı: 16
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1142/s0217979202011238
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS B
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2191-2200
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

Density functional theory method is used to explore the mechanism of dissociative adsorption of methane (CH4) on SA type stepped Si(100) surface. Two reaction paths are described that produce CH3 and hydrogen atom fragments adsorbed on the dimer bonds present on each terraces. It has been found that, in the initial stage of the carbonization of stepped Si(100) surface, the CH3 and H fragments bound to the Si dimer atoms by following the first reaction path.